Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.50 |
| ▸ | HTR2A | P28223 | 7/20 | 0.50 |
| ▸ | HTR2C | P28335 | 7/20 | 0.50 |
| ▸ | HTR2B | P41595 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 7/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29237787 | 0.81 | NPSR1 (0.47) | SIGMAR1HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL29439422 | 0.81 | SIGMAR1 (0.53) | SIGMAR1HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL4461844 | 0.81 | SIGMAR1 (0.53) | SIGMAR1HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL6448738 | 0.78 | SIGMAR1 (0.54) | SIGMAR1HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL28750475 | 0.78 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL28750469 | 0.78 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL29683795 | 0.78 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL29683505 | 0.78 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL4336942 | 0.77 | SIGMAR1 (0.53) | SIGMAR1HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL31237962 | 0.75 | SIGMAR1 (0.54) | SIGMAR1HTR2AHTR2CHTR2BMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929569-A | Monofluoro iodoacetone compound and preparation method and application thereof | 上海应用技术大学 | 2022-01-14 | — | — | CN | disclosed |